| CAS Number | 1157050-15-1 |
| Catalog Number | AG01A1LX(AGN-PC-0WOA3B) |
| Chemical Name | 2-(2-bromoethyl)-1$l^{6},2-thiazolidine-1,1-dione |
| IUPAC Name | 2-(2-bromoethyl)-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C5H10BrNO2S/c6-2-4-7-3-1-5-10(7,8)9/h1-5H2 |
| InChI Key | HBTCMPVZDRHOAM-UHFFFAOYSA-N |
| MDL Number | MFCD12093008 |
| Molecular Formula | C5H10BrNO2S |
| Molecular Weight | 228.1074 |
| SMILES | BrCCN1S(=O)(=O)CCC1 |
| Synonyms | 1157050-15-1,
2-(2-bromoethyl)-1,2-thiazolidine-1,1-dione,
2-(2-Bromoethyl)-isothiazolidine-1,1-dioxide,
SCHEMBL17556143,
ZINC36809225,
AKOS009813526,
NE51235,
2-(2-bromoethyl)-1??,2-thiazolidine-1,1-dione,
2-(2-bromoethyl)-1lambda,2-thiazolidine-1,1-dione,
2-(2-bromoethyl)-1$l^{6},2-thiazolidine-1,1-dione,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.104g/mol |
| Monoisotopic Mass | 226.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number